COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL049873
Chemical Name: (5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dioxo-5-[(piperidinium-1-ylamino)methylidene]-1,2,5,6-tetrahydropyrimidin-4-olate
Smiles: COc1ccc(cc1OC)CCN1C(=O)N=C(/C(=C/N[NH+]2CCCCC2)/C1=O)[O-]

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Molecular Weight: 402.45
Empirical Formula: C20H26N4O5

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 0.947
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 107
Number of rings: 3

     

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